7PIG

Protein kinase A catalytic subunit in complex with PKI5-24 and EN088

Summary for 7PIG

Entry DOI	10.2210/pdb7pig/pdb
Descriptor	cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, ... (5 entities in total)
Functional Keywords	protein kinase, ligand complex, transferase
Biological source	Cricetulus griseus (Chinese hamster) More
Total number of polymer chains	2
Total formula weight	43786.05
Authors	Glinca, S.,Mueller, J.M.,Ruf, M.,Merkl, S. (deposition date: 2021-08-19, release date: 2022-09-21, Last modification date: 2024-02-07)
Primary citation	Muller, J.,Klein, R.,Tarkhanova, O.,Gryniukova, A.,Borysko, P.,Merkl, S.,Ruf, M.,Neumann, A.,Gastreich, M.,Moroz, Y.S.,Klebe, G.,Glinca, S. Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65:15663-15678, 2022 Cited by PubMed: 36069712 DOI: 10.1021/acs.jmedchem.2c00813 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.553 Å)

Structure validation